SCHEMBL19994167

SCHEMBL19994167

CC(O)(Cc1ccccc1)C1CC1(Cl)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
FDPS P14324 1/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP3A4 P08684 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25043591 0.74 SLC6A2 (0.47) SLC6A2TAAR1FDPSCYP2C9CYP2C19
SCHEMBL25971519 0.71 SLC6A2 (0.44) SLC6A2TAAR1FDPSCYP2C9CYP2C19
SCHEMBL24869494 0.70 SLC6A2 (0.50) SLC6A2TAAR1FDPSCYP2C9CYP2C19
SCHEMBL7964365 0.68 SLC6A2 (0.58) SLC6A2TAAR1FDPSCYP2C9CYP2C19
SCHEMBL809278 0.68 SLC6A2 (0.58) SLC6A2TAAR1FDPSCYP2C9CYP2C19
SCHEMBL21353 0.68 SLC6A2 (0.58) SLC6A2TAAR1FDPSCYP2C9CYP2C19
SCHEMBL11861949 0.68 HRH1 (0.53) SLC6A2TAAR1FDPSCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL11843236 0.67 HRH1 (0.51) SLC6A2TAAR1FDPSCYP2C9CYP2C19
Bromide SCHEMBL28597373 0.66 SLC6A2 (0.56) SLC6A2TAAR1FDPSCYP2C9CYP2C19
SCHEMBL28366661 0.66 SLC6A2 (0.56) SLC6A2TAAR1FDPSCYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200187500-A1 PYRIDINE COMPOUNDS BASF SE (DE) 2020-06-18 US disclosed
EP-3606914-A1 PYRIDINE COMPOUNDS BASF SE (DE) 2020-02-12 EP disclosed
CN-110475772-A Pyridine compounds BASF SE 2019-11-19 CN disclosed
WO-2018184882-A1 PYRIDINE COMPOUNDS BASF SE (DE) 2018-10-11 WO disclosed
WO-2018073110-A1 QUINOLINE COMPOUNDS AS FUNGICIDES BASF SE (DE) 2018-04-26 WO disclosed
WO-2018054711-A1 PYRIDINE COMPOUNDS FOR CONTROLLING PHYTOPATHOGENIC HARMFUL FUNGI BASF SE (DE) 2018-03-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200187500-A1 PYRIDINE COMPOUNDS NQO1, NDUFS5, NDUFS4 SLC6A2 2524/4885TAAR1 1574/4885FDPS 62/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.